SCHEMBL316853

SCHEMBL316853

C[C@@]1(c2nc3c(C(N)=O)cccc3s2)CCCN1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.60
PARP2 Q9UGN5 6/20 0.60
TNKS O95271 1/20 0.60
PARP14 Q460N5 1/20 0.60
PARP10 Q53GL7 1/20 0.60
PARP12 Q9H0J9 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60
PARP4 Q9UKK3 1/20 0.60
PARP3 Q9Y6F1 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL316854 1.00 PARP1 (0.60) PARP1PARP2TNKSPARP14PARP10
Veliparib SCHEMBL30418660 0.75 PARP1 (1.00) PARP1PARP2TNKSPARP14PARP10
Veliparib SCHEMBL5511373 0.75 PARP1 (1.00) PARP1PARP2TNKSPARP14PARP10
Veliparib SCHEMBL29354914 0.75 PARP1 (1.00) PARP1PARP2TNKSPARP14PARP10
SCHEMBL205995 0.75 PARP1 (0.61) PARP1PARP2TNKSPARP14PARP10
Veliparib SCHEMBL422318 0.75 PARP1 (1.00) PARP1PARP2TNKSPARP14PARP10
Veliparib SCHEMBL422319 0.75 PARP1 (1.00) PARP1PARP2TNKSPARP14PARP10
Veliparib SCHEMBL422320 0.75 PARP1 (1.00) PARP1PARP2TNKSPARP14PARP10
Veliparib SCHEMBL29843298 0.75 PARP1 (1.00) PARP1PARP2TNKSPARP14PARP10
Veliparib SCHEMBL2368887 0.74 PARP1 (1.00) PARP1PARP2TNKSPARP14PARP10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 US claimed
US-8093396-B2 Benzthiazole inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2012-01-10 US disclosed
US-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP6 PARP1 1/4885PARP2 2/4885TNKS 57/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.